N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H24ClN5O3S2 MolecularWeight: 457.99786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C18H24ClN5O3S2/c1-12(2)17-21-18(23-22-17)28-11-16(25)20-15-10-13(6-7-14(15)19)29(26,27)24-8-4-3-5-9-24/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,20,25)(H,21,22,23)